Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.6358    1.5169   -0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262    0.2738   -0.5317 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9970   -0.2377   -0.3068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6980   -1.5829   -0.5316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5408   -2.1290   -0.3375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5530   -1.3045    0.1056 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3056    0.0397    0.3434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0206    0.5623    0.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3530    0.9593    0.8168 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    2.2254    0.0123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6811    1.8413   -0.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1172   -0.4130   -0.8875 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5041   -2.2130   -0.8786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7650   -3.1678   -0.5128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5541   -1.6729    0.2788 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1154    1.6076    0.3315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8773    1.7404    1.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8689    1.4828   -0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1429    0.4713    1.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers